Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.39 |
| ▸ | EED | O75530 | 8/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SUZ12 | Q15022 | 2/20 | 0.34 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17190972 | 0.80 | DRD1 (0.46) | DRD1EEDPKMSUZ12EZH2 | |
| SCHEMBL1536445 | 0.80 | LMNA (0.41) | DRD1SLC9A1 | |
| SCHEMBL7818979 | 0.80 | HTR2A (0.33) | DRD1PKMSLC9A1 | |
| SCHEMBL8272973 | 0.80 | HTR2A (0.35) | DRD1EEDSUZ12EZH2ALDH1A1 | |
| SCHEMBL8271685 | 0.80 | DRD1 (0.39) | DRD1EEDSUZ12EZH2SLC9A1 | |
| SCHEMBL8276151 | 0.80 | PDE3B (0.38) | DRD1EEDSUZ12EZH2PDE3B | |
| SCHEMBL8272975 | 0.78 | ADRA2A (0.42) | PKMCYP2A6PDE3BPDE3AALDH1A1 | |
| SCHEMBL13409369 | 0.76 | DRD1 (0.37) | DRD1EEDSUZ12EZH2 | |
| SCHEMBL8276161 | 0.73 | CYP2A6 (0.34) | PKMCYP2A6PDE3BPDE3A | |
| SCHEMBL12266516 | 0.71 | CYP2A6 (0.56) | CYP2A6PDE3BPDE3AALDH1A1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |